#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jbj s ASP 2 N 0.00 6.28 0.46 -2.24 1.47 -1.26 -4.97 116.67 116.41 1jbj s ASP 2 Ca 0.00 -2.03 -0.22 0.00 1.18 0.00 0.00 52.55 51.49 1jbj s ASP 2 Cb 0.00 -2.58 -0.08 0.00 -0.34 0.00 0.00 42.92 39.92 1jbj s ASP 2 CO 0.00 -1.74 1.07 0.00 0.68 0.00 0.00 175.17 175.18 1jbj s ALA 3 N 6.22 2.94 0.10 2.11 0.00 -1.26 -5.04 121.76 126.83 1jbj s ALA 3 Ca 0.57 0.72 -0.09 0.00 0.00 0.00 0.00 51.96 53.15 1jbj s ALA 3 Cb 0.02 -3.29 -0.06 0.00 0.00 0.00 0.00 23.12 19.79 1jbj s ALA 3 CO 0.06 -0.38 0.41 -1.21 0.00 0.00 0.00 175.76 174.64 1jbj s GLU 4 N -2.89 3.75 -0.39 0.00 0.41 -1.26 -5.01 118.70 113.32 1jbj s GLU 4 Ca 0.64 0.16 0.10 0.00 -0.41 0.00 0.00 54.97 55.46 1jbj s GLU 4 Cb -0.21 -2.96 0.40 0.00 -1.78 0.00 0.00 34.13 29.57 1jbj s GLU 4 CO 0.26 0.54 1.33 -1.71 -0.49 0.00 0.00 175.26 175.19 1jbj n ASN 5 N 0.76 -1.56 -4.98 -0.19 5.15 -1.26 -5.12 115.26 108.07 1jbj n ASN 5 Ca -0.07 -2.46 -0.21 0.00 -0.60 0.00 0.00 54.58 51.24 1jbj n ASN 5 Cb 0.52 0.85 0.03 0.00 -0.53 0.00 0.00 39.78 40.65 1jbj n ASN 5 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1jbj s ILE 6 N -0.13 2.26 0.42 -1.44 -1.09 -1.26 -5.13 121.20 114.83 1jbj s ILE 6 Ca 0.22 -1.15 0.05 0.00 -2.23 0.00 0.00 60.65 57.53 1jbj s ILE 6 Cb 0.41 -2.41 0.00 0.00 -1.58 0.00 0.00 42.46 38.88 1jbj s ILE 6 CO -0.08 0.00 0.59 -1.61 -1.23 0.00 0.00 174.94 172.61 1jbj s GLU 7 N -4.45 2.94 -0.05 2.79 2.02 -1.26 -4.81 118.70 115.87 1jbj s GLU 7 Ca 0.53 -0.91 -0.24 0.00 0.02 0.00 0.00 54.97 54.37 1jbj s GLU 7 Cb -0.05 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.45 1jbj s GLU 7 CO 0.33 -0.23 0.71 0.71 0.02 0.00 0.00 175.26 176.80 1jbj s TYR 8 N -2.40 3.60 -0.35 1.61 1.51 -1.26 -4.65 117.35 115.41 1jbj s TYR 8 Ca 0.50 1.28 -0.14 0.00 -1.01 0.00 0.00 57.07 57.70 1jbj s TYR 8 Cb -0.10 -2.81 -0.01 0.00 -0.11 0.00 0.00 41.96 38.93 1jbj s TYR 8 CO 0.34 0.11 0.30 0.15 -1.11 0.00 0.00 175.55 175.35 1jbj s LYS 9 N 0.69 3.49 -0.05 -0.62 1.02 -1.00 -4.87 119.74 118.39 1jbj s LYS 9 Ca 0.38 -0.57 0.03 0.00 0.02 0.00 0.00 55.97 55.83 1jbj s LYS 9 Cb -0.18 -3.82 -0.03 0.00 -0.52 0.00 0.00 37.83 33.28 1jbj s LYS 9 CO 0.19 -0.51 -0.14 0.08 -0.92 0.00 0.00 175.35 174.06 1jbj s VAL 10 N 1.86 3.13 -0.21 3.17 1.01 -1.26 0.62 120.40 128.72 1jbj s VAL 10 Ca 0.09 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 1jbj s VAL 10 Cb -0.17 -2.23 0.09 0.00 0.00 0.00 0.00 36.38 34.07 1jbj s VAL 10 CO 0.11 0.59 0.45 -0.44 0.00 0.00 0.00 175.10 175.81 1jbj s SER 11 N -0.72 -0.40 -0.18 3.32 0.01 -0.38 -4.97 113.70 110.39 1jbj s SER 11 Ca 0.11 1.06 -0.26 0.00 1.31 0.00 0.00 55.95 58.18 1jbj s SER 11 Cb -0.11 1.40 -0.01 0.00 0.21 0.00 0.00 66.02 67.51 1jbj s SER 11 CO 0.01 -0.23 0.86 -0.63 0.41 0.00 0.00 173.24 173.66 1jbj s ILE 12 N 2.50 4.85 -0.20 1.44 1.09 -1.26 -0.24 121.20 129.38 1jbj s ILE 12 Ca -0.03 1.69 0.01 0.00 -1.10 0.00 0.00 60.65 61.22 1jbj s ILE 12 Cb -0.11 -4.16 0.04 0.00 -1.06 0.00 0.00 42.46 37.16 1jbj s ILE 12 CO -0.14 -0.00 -0.11 -0.44 -0.10 0.00 0.00 174.94 174.14 1jbj s SER 13 N 1.18 3.36 -1.02 3.58 0.01 0.49 -4.86 113.70 116.44 1jbj s SER 13 Ca 0.39 -0.86 -0.16 0.00 1.31 0.00 0.00 55.95 56.63 1jbj s SER 13 Cb -0.16 -1.26 0.01 0.00 0.21 0.00 0.00 66.02 64.81 1jbj s SER 13 CO 0.12 -0.13 0.70 0.61 0.41 0.00 0.00 173.24 174.95 1jbj n GLY 14 N 4.67 -1.08 3.03 3.44 0.00 -1.26 -0.25 105.19 113.75 1jbj n GLY 14 Ca -0.15 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1jbj n GLY 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jbj n THR 15 N -3.70 0.00 -4.28 2.61 -1.04 -1.26 -4.83 114.28 101.78 1jbj n THR 15 Ca -0.15 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.59 1jbj n THR 15 Cb 0.60 -0.68 -0.09 0.00 -1.82 0.00 0.00 70.33 68.35 1jbj n THR 15 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1jbj s SER 16 N -2.06 4.37 -0.15 8.00 0.01 0.65 -1.56 113.70 122.96 1jbj s SER 16 Ca 0.00 -0.55 0.02 0.00 1.31 0.00 0.00 55.95 56.72 1jbj s SER 16 Cb 0.00 -0.78 0.01 0.00 0.21 0.00 0.00 66.02 65.46 1jbj s SER 16 CO 0.00 0.09 -0.20 -0.69 0.41 0.00 0.00 173.24 172.85 1jbj s VAL 17 N -1.78 2.23 -0.37 3.43 1.01 0.32 0.19 120.40 125.43 1jbj s VAL 17 Ca 0.26 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 1jbj s VAL 17 Cb -0.09 -1.92 0.06 0.00 0.00 0.00 0.00 36.38 34.44 1jbj s VAL 17 CO 0.16 0.54 0.17 -0.70 0.00 0.00 0.00 175.10 175.26 1jbj s GLU 18 N 0.93 2.54 0.04 2.72 2.12 0.66 0.20 118.70 127.92 1jbj s GLU 18 Ca -0.04 -1.34 -0.02 0.00 0.36 0.00 0.00 54.97 53.93 1jbj s GLU 18 Cb -0.15 -3.58 -0.04 0.00 0.26 0.00 0.00 34.13 30.62 1jbj s GLU 18 CO -0.04 -0.81 0.21 -0.51 -0.54 0.00 0.00 175.26 173.58 1jbj s LEU 19 N 1.38 4.36 -0.23 2.70 1.43 0.71 -1.24 118.68 127.78 1jbj s LEU 19 Ca 0.01 0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 1jbj s LEU 19 Cb -0.21 -2.83 0.05 0.00 0.03 0.00 0.00 46.19 43.22 1jbj s LEU 19 CO 0.02 0.20 -0.14 -0.89 0.23 0.00 0.00 176.35 175.77 1jbj s THR 20 N -1.43 2.09 0.44 5.49 2.01 0.20 -0.62 115.64 123.82 1jbj s THR 20 Ca 0.32 -1.35 -0.18 0.00 0.31 0.00 0.00 61.69 60.79 1jbj s THR 20 Cb -0.13 -2.09 -0.09 0.00 0.01 0.00 0.00 72.50 70.20 1jbj s THR 20 CO 0.23 0.18 0.92 0.00 -0.69 0.00 0.00 174.62 175.27 1jbj n PRO 22 N -0.96 0.87 -4.76 0.00 -0.02 -1.26 -4.71 135.00 124.16 1jbj n PRO 22 Ca 0.06 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.25 1jbj n PRO 22 Cb 0.54 -1.08 -0.17 0.00 -0.02 0.00 0.00 33.50 32.78 1jbj n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jbj s LEU 23 N -0.83 1.88 1.04 2.45 1.43 -1.26 -4.81 118.68 118.58 1jbj s LEU 23 Ca 0.00 -0.47 -0.16 0.00 -1.03 0.00 0.00 54.13 52.47 1jbj s LEU 23 Cb 0.00 -1.19 0.11 0.00 0.03 0.00 0.00 46.19 45.15 1jbj s LEU 23 CO 0.00 0.07 0.03 -0.90 0.23 0.00 0.00 176.35 175.78 1jbj n ASP 24 N 3.88 -2.78 -4.26 2.29 5.68 -1.26 -4.51 116.55 115.59 1jbj n ASP 24 Ca -0.20 -0.26 -0.44 0.00 -0.50 0.00 0.00 54.79 53.39 1jbj n ASP 24 Cb 0.52 -0.80 -0.05 0.00 -1.14 0.00 0.00 41.12 39.65 1jbj n ASP 24 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1jbj s SER 25 N -1.82 6.19 0.45 -1.12 1.04 -1.26 -4.53 113.70 112.65 1jbj s SER 25 Ca 0.42 -2.40 0.03 0.00 0.48 0.00 0.00 55.95 54.48 1jbj s SER 25 Cb -0.06 -2.11 0.01 0.00 0.10 0.00 0.00 66.02 63.96 1jbj s SER 25 CO 0.47 -0.62 0.65 -1.81 0.98 0.00 0.00 173.24 172.91 1jbj s ASP 26 N 2.29 5.66 0.00 7.02 1.01 -1.26 -4.91 116.67 126.48 1jbj s ASP 26 Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 52.55 53.39 1jbj s ASP 26 Cb -0.19 -1.14 0.00 0.00 1.01 0.00 0.00 42.92 42.60 1jbj s ASP 26 CO -0.04 -0.80 0.89 -0.62 0.21 0.00 0.00 175.17 174.82 1jbj n GLU 27 N -2.04 0.73 -0.28 8.23 1.02 -1.26 -2.06 120.64 124.97 1jbj n GLU 27 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1jbj n GLU 27 Cb 0.59 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 1jbj n GLU 27 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jbj n ASN 28 N 0.86 0.00 -4.73 1.62 3.02 -1.26 -5.10 115.26 109.68 1jbj n ASN 28 Ca 0.00 -0.96 -0.41 0.00 -0.03 0.00 0.00 54.58 53.19 1jbj n ASN 28 Cb 0.36 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.49 1jbj n ASN 28 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1jbj s LEU 29 N 0.00 4.44 0.11 3.41 2.96 -0.87 -4.38 118.68 124.35 1jbj s LEU 29 Ca 0.00 1.61 0.02 0.00 -0.22 0.00 0.00 54.13 55.54 1jbj s LEU 29 Cb 0.00 -3.43 -0.04 0.00 0.50 0.00 0.00 46.19 43.21 1jbj s LEU 29 CO 0.00 -0.09 -0.06 -0.54 -1.32 0.00 0.00 176.35 174.34 1jbj s LYS 30 N 0.29 0.89 0.45 1.98 1.02 -1.04 -2.34 119.74 120.99 1jbj s LYS 30 Ca 0.45 -1.37 0.05 0.00 0.02 0.00 0.00 55.97 55.11 1jbj s LYS 30 Cb -0.21 -0.25 -0.05 0.00 -0.52 0.00 0.00 37.83 36.79 1jbj s LYS 30 CO 0.26 -0.02 0.04 -1.58 -0.92 0.00 0.00 175.35 173.13 1jbj s TRP 31 N -3.60 2.27 -0.25 3.18 0.52 -1.14 -2.38 118.94 117.55 1jbj s TRP 31 Ca 0.14 -0.77 -0.13 0.00 0.02 0.00 0.00 56.10 55.36 1jbj s TRP 31 Cb 0.05 -1.75 0.08 0.00 -1.15 0.00 0.00 33.47 30.70 1jbj s TRP 31 CO -0.03 0.31 0.60 -2.00 0.02 0.00 0.00 176.95 175.85 1jbj s GLU 32 N -3.81 0.60 -0.26 4.98 2.12 -0.44 -1.96 118.70 119.92 1jbj s GLU 32 Ca 0.25 1.11 0.03 0.00 0.36 0.00 0.00 54.97 56.73 1jbj s GLU 32 Cb 0.06 0.15 0.06 0.00 0.26 0.00 0.00 34.13 34.67 1jbj s GLU 32 CO 0.13 -0.16 -0.09 0.21 -0.54 0.00 0.00 175.26 174.81 1jbj s LYS 33 N 1.70 2.10 2.65 4.30 2.36 -0.37 -1.66 119.74 130.82 1jbj s LYS 33 Ca -0.09 -1.36 0.00 0.00 -2.55 0.00 0.00 55.97 51.97 1jbj s LYS 33 Cb -0.07 -2.88 0.00 0.00 -1.05 0.00 0.00 37.83 33.83 1jbj s LYS 33 CO -0.18 -0.61 0.00 -1.71 1.55 0.00 0.00 175.35 174.41 1jbj n ASN 34 N 4.44 -3.15 -0.05 1.43 2.85 -0.83 -2.82 115.26 117.14 1jbj n ASN 34 Ca -0.12 0.00 0.25 0.00 -0.11 0.00 0.00 54.58 54.60 1jbj n ASN 34 Cb 0.42 0.00 0.68 0.00 1.24 0.00 0.00 39.78 42.12 1jbj n ASN 34 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 1jbj h GLY 35 N 0.00 0.00 -3.90 8.20 0.00 -1.97 -3.40 103.07 102.00 1jbj h GLY 35 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 1jbj h GLY 35 CO 0.00 0.00 -0.30 1.20 0.00 0.00 0.00 176.54 177.44 1jbj s GLN 36 N -4.63 3.57 0.17 4.80 -0.21 -1.13 -5.11 119.66 117.12 1jbj s GLN 36 Ca -0.04 -0.20 0.09 0.00 0.02 0.00 0.00 55.36 55.23 1jbj s GLN 36 Cb 0.16 -2.82 -0.04 0.00 1.00 0.00 0.00 33.01 31.31 1jbj s GLN 36 CO 0.57 0.41 -0.11 -1.83 -2.12 0.00 0.00 175.29 172.21 1jbj s GLU 37 N -3.07 2.01 -0.39 2.91 1.03 -1.26 -1.24 118.70 118.69 1jbj s GLU 37 Ca 0.40 -1.26 -0.05 0.00 0.03 0.00 0.00 54.97 54.09 1jbj s GLU 37 Cb -0.11 -2.14 0.08 0.00 -0.80 0.00 0.00 34.13 31.15 1jbj s GLU 37 CO 0.27 0.44 0.18 -0.51 -1.33 0.00 0.00 175.26 174.31 1jbj s LEU 38 N -2.73 4.88 0.90 1.83 1.43 -0.83 -4.82 118.68 119.34 1jbj s LEU 38 Ca 0.24 -1.62 -0.13 0.00 -1.03 0.00 0.00 54.13 51.59 1jbj s LEU 38 Cb -0.09 -1.87 0.18 0.00 0.03 0.00 0.00 46.19 44.44 1jbj s LEU 38 CO 0.14 -0.47 1.24 -2.16 0.23 0.00 0.00 176.35 175.34 1jbj s PRO 39 N 1.29 0.96 -1.67 1.29 0.04 -1.26 -2.87 135.00 132.78 1jbj s PRO 39 Ca 0.03 -0.51 -0.02 0.00 0.04 0.00 0.00 61.00 60.54 1jbj s PRO 39 Cb -0.22 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1jbj s PRO 39 CO -0.01 -2.15 0.28 0.94 0.04 0.00 0.00 177.00 176.10 1jbj n GLN 40 N -3.54 -3.17 -3.33 4.56 -0.06 -1.26 -4.92 117.38 105.65 1jbj n GLN 40 Ca 0.15 0.95 -0.28 0.00 -2.00 0.00 0.00 57.00 55.82 1jbj n GLN 40 Cb 0.60 -5.71 -0.07 0.00 -4.06 0.00 0.00 30.24 21.00 1jbj n GLN 40 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1jbj n LYS 41 N -3.48 2.77 -1.07 3.69 4.76 -1.26 -4.90 118.16 118.66 1jbj n LYS 41 Ca -0.18 -4.69 -0.20 0.00 -2.87 0.00 0.00 58.31 50.36 1jbj n LYS 41 Cb 0.66 -2.27 0.01 0.00 -1.84 0.00 0.00 35.03 31.58 1jbj n LYS 41 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1jbj n HIS 42 N 0.73 1.59 -4.51 2.13 1.44 -0.99 -3.35 115.22 112.26 1jbj n HIS 42 Ca 0.30 -1.99 -0.26 0.00 -2.01 0.00 0.00 57.72 53.76 1jbj n HIS 42 Cb 0.40 -1.10 -0.13 0.00 0.12 0.00 0.00 29.99 29.28 1jbj n HIS 42 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1jbj s ASP 43 N 0.19 2.73 0.17 4.39 -1.08 -1.26 -4.37 116.67 117.43 1jbj s ASP 43 Ca 0.40 -0.63 -0.04 0.00 -0.52 0.00 0.00 52.55 51.76 1jbj s ASP 43 Cb 0.29 -0.20 0.03 0.00 -1.46 0.00 0.00 42.92 41.59 1jbj s ASP 43 CO -0.06 0.14 1.43 0.50 0.52 0.00 0.00 175.17 177.70 1jbj h LYS 44 N 4.42 0.53 -4.72 4.34 3.64 -1.80 -3.42 116.57 119.56 1jbj h LYS 44 Ca -0.46 -0.40 -0.69 0.00 -1.27 0.00 0.00 60.65 57.84 1jbj h LYS 44 Cb 1.17 0.07 -0.25 0.00 -0.41 0.00 0.00 32.23 32.81 1jbj h LYS 44 CO 0.41 1.02 -0.57 -3.38 -2.27 0.00 0.00 179.45 174.67 1jbj s HIS 45 N -3.76 3.20 -0.05 1.91 -3.43 -1.26 -0.32 115.29 111.58 1jbj s HIS 45 Ca -0.07 -0.90 -0.22 0.00 -0.80 0.00 0.00 55.06 53.06 1jbj s HIS 45 Cb 0.10 -2.34 -0.04 0.00 -1.43 0.00 0.00 32.58 28.87 1jbj s HIS 45 CO 0.85 -0.58 0.66 -1.17 -2.00 0.00 0.00 174.74 172.51 1jbj s LEU 46 N 1.54 4.34 -0.08 5.38 2.96 0.21 -4.85 118.68 128.18 1jbj s LEU 46 Ca 0.03 1.16 -0.04 0.00 -0.22 0.00 0.00 54.13 55.06 1jbj s LEU 46 Cb -0.18 -3.02 -0.04 0.00 0.50 0.00 0.00 46.19 43.45 1jbj s LEU 46 CO 0.05 -0.06 0.07 -0.69 -1.32 0.00 0.00 176.35 174.40 1jbj s VAL 47 N 0.56 4.88 -0.44 1.68 1.01 -1.26 -0.21 120.40 126.62 1jbj s VAL 47 Ca 0.35 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.27 1jbj s VAL 47 Cb -0.18 -3.12 0.12 0.00 0.00 0.00 0.00 36.38 33.20 1jbj s VAL 47 CO 0.17 0.55 0.17 -0.76 0.00 0.00 0.00 175.10 175.24 1jbj s LEU 48 N -1.13 4.20 -0.19 3.92 1.43 0.53 -4.94 118.68 122.51 1jbj s LEU 48 Ca 0.16 -2.59 -0.27 0.00 -1.03 0.00 0.00 54.13 50.40 1jbj s LEU 48 Cb -0.12 -1.53 -0.00 0.00 0.03 0.00 0.00 46.19 44.56 1jbj s LEU 48 CO 0.06 -0.30 0.94 -1.10 0.23 0.00 0.00 176.35 176.18 1jbj s GLN 49 N 0.31 4.29 -0.22 1.70 -0.21 -1.26 0.12 119.66 124.38 1jbj s GLN 49 Ca 0.14 1.20 -0.01 0.00 0.02 0.00 0.00 55.36 56.72 1jbj s GLN 49 Cb -0.23 -3.60 0.00 0.00 1.00 0.00 0.00 33.01 30.18 1jbj s GLN 49 CO -0.04 -0.47 0.22 -3.47 -2.12 0.00 0.00 175.29 169.41 1jbj n ASP 50 N 5.72 -3.94 -4.74 5.90 2.03 -0.60 -4.98 116.55 115.95 1jbj n ASP 50 Ca 0.08 0.03 -0.33 0.00 0.52 0.00 0.00 54.79 55.09 1jbj n ASP 50 Cb 0.48 -2.44 0.09 0.00 -0.72 0.00 0.00 41.12 38.53 1jbj n ASP 50 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1jbj s PHE 51 N -2.64 2.26 -0.39 -0.67 5.36 -1.04 -4.95 117.98 115.91 1jbj s PHE 51 Ca 0.02 1.61 0.01 0.00 -0.96 0.00 0.00 56.93 57.61 1jbj s PHE 51 Cb -0.01 -3.28 0.13 0.00 -0.34 0.00 0.00 43.02 39.52 1jbj s PHE 51 CO 0.25 -2.20 0.20 -1.12 -1.46 0.00 0.00 175.22 170.89 1jbj s SER 52 N -2.54 3.53 0.48 6.13 0.01 -1.26 -4.67 113.70 115.37 1jbj s SER 52 Ca 0.68 -2.30 0.17 0.00 1.31 0.00 0.00 55.95 55.82 1jbj s SER 52 Cb -0.23 -0.81 1.16 0.00 0.21 0.00 0.00 66.02 66.35 1jbj s SER 52 CO 0.48 -0.31 2.05 -0.08 0.41 0.00 0.00 173.24 175.79 1jbj h GLU 53 N 7.09 0.00 -0.62 12.44 4.81 -1.92 -2.06 114.58 134.32 1jbj h GLU 53 Ca -0.02 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1jbj h GLU 53 Cb 0.96 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.30 1jbj h GLU 53 CO 0.42 0.13 0.41 0.28 -0.73 0.00 0.00 179.01 179.52 1jbj h VAL 54 N 0.00 1.09 -0.09 0.32 2.07 -1.93 -0.88 116.25 116.84 1jbj h VAL 54 Ca -0.00 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.29 1jbj h VAL 54 Cb 0.24 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1jbj h VAL 54 CO 0.02 0.14 0.26 -0.33 0.02 0.00 0.00 177.57 177.68 1jbj h GLU 55 N 0.75 0.00 -3.01 1.57 5.08 -1.80 -3.45 114.58 113.71 1jbj h GLU 55 Ca 0.24 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1jbj h GLU 55 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1jbj h GLU 55 CO -0.06 0.00 -0.00 -3.47 -1.00 0.00 0.00 179.01 174.47 1jbj n ASP 56 N -3.21 -2.02 -0.57 1.42 -0.08 -0.33 -4.93 116.55 106.82 1jbj n ASP 56 Ca -0.00 -0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.33 1jbj n ASP 56 Cb 0.35 -0.84 -0.01 0.00 2.34 0.00 0.00 41.12 42.96 1jbj n ASP 56 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1jbj n SER 57 N -1.19 -3.42 -3.63 1.67 3.41 -1.26 -4.97 113.62 104.23 1jbj n SER 57 Ca -0.00 0.41 -0.10 0.00 -0.26 0.00 0.00 58.87 58.91 1jbj n SER 57 Cb 0.50 -1.30 -0.07 0.00 -0.26 0.00 0.00 64.21 63.08 1jbj n SER 57 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1jbj s GLY 58 N -3.35 -0.24 -0.47 5.00 0.00 -1.04 -4.97 107.32 102.26 1jbj s GLY 58 Ca 0.00 2.52 -0.23 0.00 0.00 0.00 0.00 44.72 47.00 1jbj s GLY 58 CO 0.00 1.79 0.81 -0.19 0.00 0.00 0.00 173.10 175.51 1jbj s TYR 59 N 0.21 2.96 0.11 1.90 2.02 -1.26 -2.55 117.35 120.75 1jbj s TYR 59 Ca 0.02 0.13 0.05 0.00 -0.37 0.00 0.00 57.07 56.91 1jbj s TYR 59 Cb -0.05 -3.74 -0.04 0.00 -0.40 0.00 0.00 41.96 37.73 1jbj s TYR 59 CO -0.04 -1.05 0.02 0.71 -1.57 0.00 0.00 175.55 173.62 1jbj s TYR 60 N 3.39 3.01 0.10 2.71 1.51 -0.94 -1.96 117.35 125.17 1jbj s TYR 60 Ca 0.30 -0.03 -0.15 0.00 -1.01 0.00 0.00 57.07 56.18 1jbj s TYR 60 Cb -0.12 -1.52 0.03 0.00 -0.11 0.00 0.00 41.96 40.24 1jbj s TYR 60 CO 0.22 0.49 0.35 0.54 -1.11 0.00 0.00 175.55 176.05 1jbj s VAL 61 N -1.43 0.08 0.00 0.71 0.11 -0.66 -2.15 120.40 117.06 1jbj s VAL 61 Ca 0.27 -0.69 -0.03 0.00 -2.93 0.00 0.00 61.98 58.60 1jbj s VAL 61 Cb -0.11 -1.14 -0.01 0.00 -1.53 0.00 0.00 36.38 33.59 1jbj s VAL 61 CO 0.19 -0.38 0.05 0.00 -3.33 0.00 0.00 175.10 171.63 1jbj s TYR 63 N -1.09 -0.46 0.30 0.00 1.13 -1.00 -4.77 117.35 111.47 1jbj s TYR 63 Ca -0.12 0.48 0.04 0.00 -1.41 0.00 0.00 57.07 56.07 1jbj s TYR 63 Cb -0.07 0.38 -0.06 0.00 -1.10 0.00 0.00 41.96 41.11 1jbj s TYR 63 CO 0.00 -0.68 0.03 0.95 -2.51 0.00 0.00 175.55 173.34 1jbj s THR 64 N -2.61 1.24 0.18 -3.49 -4.23 0.36 -2.51 115.64 104.58 1jbj s THR 64 Ca -0.04 -2.03 -0.13 0.00 -1.18 0.00 0.00 61.69 58.31 1jbj s THR 64 Cb -0.00 -2.67 0.11 0.00 1.34 0.00 0.00 72.50 71.28 1jbj s THR 64 CO -0.03 -0.10 1.71 -0.65 -0.54 0.00 0.00 174.62 175.01 1jbj h PRO 65 N 2.20 0.20 0.00 3.99 0.11 -2.01 -0.82 132.00 135.67 1jbj h PRO 65 Ca -0.40 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 1jbj h PRO 65 Cb 1.24 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1jbj h PRO 65 CO 0.68 0.13 -0.12 0.00 -0.21 0.00 0.00 178.00 178.48 1jbj h ALA 66 N 1.39 0.96 -3.53 -0.75 0.00 -1.97 -3.40 119.26 111.96 1jbj h ALA 66 Ca 0.25 -0.11 -0.63 0.00 0.00 0.00 0.00 54.91 54.41 1jbj h ALA 66 Cb 0.34 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 17.71 1jbj h ALA 66 CO -0.34 0.15 -0.74 0.45 0.00 0.00 0.00 179.25 178.78 1jbj s SER 67 N -6.09 4.45 -0.59 0.00 0.15 -0.32 -4.97 113.70 106.34 1jbj s SER 67 Ca 0.03 -1.89 0.00 0.00 0.70 0.00 0.00 55.95 54.80 1jbj s SER 67 Cb 0.08 -1.36 0.47 0.00 -1.71 0.00 0.00 66.02 63.50 1jbj s SER 67 CO 0.63 -0.37 1.89 -3.20 1.20 0.00 0.00 173.24 173.40 1jbj n ASN 68 N 4.47 6.85 -4.87 5.45 2.85 -1.22 -0.49 115.26 128.31 1jbj n ASN 68 Ca 0.00 -3.77 -0.31 0.00 -0.11 0.00 0.00 54.58 50.39 1jbj n ASN 68 Cb 0.42 -0.87 -0.04 0.00 1.24 0.00 0.00 39.78 40.53 1jbj n ASN 68 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1jbj s LYS 69 N -3.74 3.86 -0.19 1.20 2.20 -1.26 -5.06 119.74 116.75 1jbj s LYS 69 Ca 0.62 0.55 -0.02 0.00 -0.36 0.00 0.00 55.97 56.76 1jbj s LYS 69 Cb 0.49 -2.40 -0.00 0.00 -1.51 0.00 0.00 37.83 34.41 1jbj s LYS 69 CO 0.01 0.02 -0.11 0.54 -0.36 0.00 0.00 175.35 175.45 1jbj s ASN 70 N -2.86 3.87 -0.21 1.43 4.22 -1.26 -4.73 114.94 115.40 1jbj s ASN 70 Ca 0.52 -0.46 -0.03 0.00 -2.14 0.00 0.00 52.86 50.75 1jbj s ASN 70 Cb -0.10 -1.63 0.07 0.00 1.28 0.00 0.00 41.25 40.86 1jbj s ASN 70 CO 0.27 0.02 0.05 -0.89 -2.04 0.00 0.00 177.10 174.50 1jbj s THR 71 N 1.22 0.53 -0.28 0.54 2.01 -1.26 -5.11 115.64 113.30 1jbj s THR 71 Ca 0.02 -0.65 -0.21 0.00 0.31 0.00 0.00 61.69 61.16 1jbj s THR 71 Cb -0.14 -1.09 -0.01 0.00 0.01 0.00 0.00 72.50 71.26 1jbj s THR 71 CO -0.05 -0.28 0.68 -0.31 -0.69 0.00 0.00 174.62 173.97 1jbj s TYR 72 N 1.85 3.25 -0.10 4.92 1.51 -1.26 -4.39 117.35 123.13 1jbj s TYR 72 Ca 0.01 0.79 -0.01 0.00 -1.01 0.00 0.00 57.07 56.85 1jbj s TYR 72 Cb -0.17 -2.97 -0.03 0.00 -0.11 0.00 0.00 41.96 38.68 1jbj s TYR 72 CO -0.11 -0.42 -0.04 -1.17 -1.11 0.00 0.00 175.55 172.71 1jbj s LEU 73 N 2.66 3.33 -0.42 -1.29 0.20 -0.91 -3.57 118.68 118.67 1jbj s LEU 73 Ca 0.28 0.00 -0.15 0.00 0.69 0.00 0.00 54.13 54.96 1jbj s LEU 73 Cb -0.15 -1.76 0.03 0.00 -0.43 0.00 0.00 46.19 43.88 1jbj s LEU 73 CO 0.10 0.31 0.31 -0.47 -0.29 0.00 0.00 176.35 176.31 1jbj s TYR 74 N -0.51 3.24 -0.36 5.38 5.04 0.30 -2.21 117.35 128.24 1jbj s TYR 74 Ca 0.08 -0.65 -0.14 0.00 -2.44 0.00 0.00 57.07 53.92 1jbj s TYR 74 Cb -0.12 -2.66 -0.01 0.00 0.35 0.00 0.00 41.96 39.52 1jbj s TYR 74 CO 0.02 -0.62 0.30 -1.17 -1.34 0.00 0.00 175.55 172.74 1jbj s LEU 75 N 1.67 4.60 -0.24 6.97 0.20 -1.06 -1.75 118.68 129.07 1jbj s LEU 75 Ca 0.05 -0.45 -0.00 0.00 0.69 0.00 0.00 54.13 54.42 1jbj s LEU 75 Cb -0.20 -2.22 0.07 0.00 -0.43 0.00 0.00 46.19 43.41 1jbj s LEU 75 CO 0.09 -0.32 0.00 -0.75 -0.29 0.00 0.00 176.35 175.08 1jbj s LYS 76 N 1.84 1.19 0.28 1.98 2.36 -0.46 -2.50 119.74 124.43 1jbj s LYS 76 Ca 0.08 -0.91 -0.17 0.00 -2.55 0.00 0.00 55.97 52.42 1jbj s LYS 76 Cb -0.17 -2.39 0.01 0.00 -1.05 0.00 0.00 37.83 34.23 1jbj s LYS 76 CO 0.11 -0.70 0.63 0.00 1.55 0.00 0.00 175.35 176.93 1jbj s ALA 77 N 1.53 -0.72 0.06 3.13 0.00 -1.26 -3.20 121.76 121.29 1jbj s ALA 77 Ca -0.01 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.36 1jbj s ALA 77 Cb -0.18 0.93 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 1jbj s ALA 77 CO -0.10 -0.96 -0.09 0.50 0.00 0.00 0.00 175.76 175.11 1jbj s ARG 78 N -3.74 0.64 0.04 0.00 3.52 -1.26 -3.94 118.95 114.21 1jbj s ARG 78 Ca 0.17 -0.88 -0.12 0.00 -0.13 0.00 0.00 55.73 54.76 1jbj s ARG 78 Cb -0.04 -0.42 0.01 0.00 -1.56 0.00 0.00 34.95 32.95 1jbj s ARG 78 CO 0.09 0.08 0.27 0.14 -0.81 0.00 0.00 175.30 175.06 1jbj s VAL 79 N -1.63 0.09 0.00 7.11 -7.23 -1.26 -4.96 120.40 112.52 1jbj s VAL 79 Ca -0.05 -0.74 0.00 0.00 -1.81 0.00 0.00 61.98 59.37 1jbj s VAL 79 Cb -0.08 -0.92 0.00 0.00 0.56 0.00 0.00 36.38 35.94 1jbj s VAL 79 CO 0.00 -0.41 0.00 0.61 -0.31 0.00 0.00 175.10 174.99 1jbj n GLY 80 N 0.63 0.62 2.38 2.32 0.00 -1.26 -2.93 105.19 106.95 1jbj n GLY 80 Ca -0.19 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 1jbj n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jbj n SER 81 N -1.96 6.49 -3.77 1.61 7.64 -1.26 -4.92 113.62 117.44 1jbj n SER 81 Ca 0.00 -3.78 -0.25 0.00 1.01 0.00 0.00 58.87 55.85 1jbj n SER 81 Cb 0.00 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 1jbj n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jbj n ALA 82 N -0.72 -2.77 -0.07 -0.43 0.00 -1.15 -4.53 120.51 110.83 1jbj n ALA 82 Ca 0.53 -0.28 -0.00 0.00 0.00 0.00 0.00 53.44 53.68 1jbj n ALA 82 Cb 0.66 -0.99 -0.00 0.00 0.00 0.00 0.00 19.45 19.11 1jbj n ALA 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jbj n ASP 83 N -2.53 0.68 -5.01 0.00 9.92 -1.26 -4.70 116.55 113.65 1jbj n ASP 83 Ca -0.28 -1.26 -0.17 0.00 -0.53 0.00 0.00 54.79 52.55 1jbj n ASP 83 Cb 0.67 -0.15 0.01 0.00 -0.64 0.00 0.00 41.12 41.01 1jbj n ASP 83 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1jbj s ASP 84 N 2.15 5.68 -0.34 -2.24 -1.08 -1.26 -5.06 116.67 114.51 1jbj s ASP 84 Ca 0.01 -0.39 0.16 0.00 -0.52 0.00 0.00 52.55 51.81 1jbj s ASP 84 Cb 0.01 -0.71 0.45 0.00 -1.46 0.00 0.00 42.92 41.21 1jbj s ASP 84 CO 0.00 -0.74 0.99 0.00 0.52 0.00 0.00 175.17 175.94 1jbj n ALA 85 N -1.85 3.72 -2.95 3.66 0.00 -1.26 -4.93 120.51 116.90 1jbj n ALA 85 Ca 0.07 -3.35 -0.18 0.00 0.00 0.00 0.00 53.44 49.98 1jbj n ALA 85 Cb 0.59 -0.86 0.04 0.00 0.00 0.00 0.00 19.45 19.22 1jbj n ALA 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jbj n LYS 86 N -0.17 -4.33 -0.37 0.00 0.00 -1.26 -4.76 118.16 107.27 1jbj n LYS 86 Ca 0.15 0.70 0.05 0.00 0.00 0.00 0.00 58.31 59.21 1jbj n LYS 86 Cb 0.79 -5.16 -0.01 0.00 0.00 0.00 0.00 35.03 30.64 1jbj n LYS 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1jbj n LYS 87 N -3.46 -0.76 -4.41 1.64 4.81 -1.26 -4.93 118.16 109.80 1jbj n LYS 87 Ca -0.07 0.50 -0.26 0.00 -0.87 0.00 0.00 58.31 57.61 1jbj n LYS 87 Cb 0.59 -0.92 -0.09 0.00 0.02 0.00 0.00 35.03 34.62 1jbj n LYS 87 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1jbj s ASP 88 N -4.78 4.09 -0.62 3.14 -1.08 -1.26 -4.88 116.67 111.27 1jbj s ASP 88 Ca 0.00 -1.19 -0.07 0.00 -0.52 0.00 0.00 52.55 50.77 1jbj s ASP 88 Cb 0.00 -0.44 0.01 0.00 -1.46 0.00 0.00 42.92 41.02 1jbj s ASP 88 CO 0.00 -0.41 0.66 0.00 0.52 0.00 0.00 175.17 175.94 1jbj n ALA 89 N -1.03 -2.70 -0.09 3.66 0.00 -1.26 -4.90 120.51 114.19 1jbj n ALA 89 Ca -0.04 0.46 -0.01 0.00 0.00 0.00 0.00 53.44 53.85 1jbj n ALA 89 Cb 0.65 -2.39 0.25 0.00 0.00 0.00 0.00 19.45 17.96 1jbj n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jbj h ALA 90 N 1.09 1.33 -1.64 0.00 0.00 -1.92 -3.40 119.26 114.73 1jbj h ALA 90 Ca -0.02 -0.17 -0.54 0.00 0.00 0.00 0.00 54.91 54.18 1jbj h ALA 90 Cb 1.01 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1jbj h ALA 90 CO 0.26 0.48 1.20 0.15 0.00 0.00 0.00 179.25 181.34 1jbj s LYS 91 N -5.22 3.16 -0.03 0.00 -0.14 -1.26 -4.99 119.74 111.25 1jbj s LYS 91 Ca -0.09 0.73 -0.12 0.00 -1.36 0.00 0.00 55.97 55.13 1jbj s LYS 91 Cb 0.16 -4.20 -0.05 0.00 -1.68 0.00 0.00 37.83 32.06 1jbj s LYS 91 CO 0.78 -2.09 0.31 0.21 -0.76 0.00 0.00 175.35 173.80 1jbj s LYS 92 N 5.88 3.74 0.20 1.68 2.20 -1.26 -5.09 119.74 127.09 1jbj s LYS 92 Ca 0.62 0.21 0.04 0.00 -0.36 0.00 0.00 55.97 56.48 1jbj s LYS 92 Cb -0.14 -3.19 -0.02 0.00 -1.51 0.00 0.00 37.83 32.97 1jbj s LYS 92 CO 0.26 0.71 0.18 -3.47 -0.36 0.00 0.00 175.35 172.68 1jbj n ASP 93 N 1.80 -0.46 0.05 1.43 -0.08 -1.26 -5.11 116.55 112.91 1jbj n ASP 93 Ca -0.16 -2.30 0.00 0.00 -1.51 0.00 0.00 54.79 50.82 1jbj n ASP 93 Cb 0.53 1.05 0.00 0.00 2.34 0.00 0.00 41.12 45.05 1jbj n ASP 93 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1jbj n ASP 94 N -2.18 -0.34 -3.10 1.67 -0.08 -1.26 -5.07 116.55 106.19 1jbj n ASP 94 Ca 0.04 0.17 -0.15 0.00 -1.51 0.00 0.00 54.79 53.35 1jbj n ASP 94 Cb 0.36 0.46 0.08 0.00 2.34 0.00 0.00 41.12 44.36 1jbj n ASP 94 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jbj n ALA 95 N -2.77 -1.77 -2.72 -1.67 0.00 -1.26 -5.01 120.51 105.31 1jbj n ALA 95 Ca 0.00 -0.04 -0.35 0.00 0.00 0.00 0.00 53.44 53.04 1jbj n ALA 95 Cb 0.00 -2.31 -0.05 0.00 0.00 0.00 0.00 19.45 17.09 1jbj n ALA 95 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1jbj s LYS 96 N -5.13 3.63 -0.16 0.00 2.20 -1.26 -4.98 119.74 114.04 1jbj s LYS 96 Ca 0.02 0.01 0.09 0.00 -0.36 0.00 0.00 55.97 55.73 1jbj s LYS 96 Cb -0.00 -3.10 0.24 0.00 -1.51 0.00 0.00 37.83 33.46 1jbj s LYS 96 CO 0.63 0.66 1.24 1.17 -0.36 0.00 0.00 175.35 178.69 1jbj n LYS 97 N 1.28 0.69 -3.62 4.03 4.81 -1.26 -5.13 118.16 118.96 1jbj n LYS 97 Ca -0.12 -1.37 -0.03 0.00 -0.87 0.00 0.00 58.31 55.92 1jbj n LYS 97 Cb 0.53 0.26 -0.01 0.00 0.02 0.00 0.00 35.03 35.83 1jbj n LYS 97 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1jbj s ASP 98 N -1.36 -0.17 -0.30 3.14 -4.77 -1.26 -5.17 116.67 106.78 1jbj s ASP 98 Ca 0.09 -0.13 -0.17 0.00 -3.30 0.00 0.00 52.55 49.04 1jbj s ASP 98 Cb 0.24 0.28 0.18 0.00 -1.09 0.00 0.00 42.92 42.53 1jbj s ASP 98 CO -0.07 -0.48 1.14 1.51 0.70 0.00 0.00 175.17 177.96 1jbj s ASP 99 N -2.64 -0.29 0.00 2.11 1.47 -1.26 -5.06 116.67 111.01 1jbj s ASP 99 Ca 0.10 0.43 0.00 0.00 1.18 0.00 0.00 52.55 54.26 1jbj s ASP 99 Cb 0.01 1.23 0.00 0.00 -0.34 0.00 0.00 42.92 43.82 1jbj s ASP 99 CO -0.04 -0.06 0.00 0.00 0.68 0.00 0.00 175.17 175.75 1jbj n ALA 100 N 4.05 0.00 -3.28 2.11 0.00 -1.26 -5.05 120.51 117.08 1jbj n ALA 100 Ca -0.13 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.06 1jbj n ALA 100 Cb 0.55 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.92 1jbj n ALA 100 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jbj n LYS 101 N -1.40 0.43 0.36 0.00 5.02 -1.26 -4.62 118.16 116.68 1jbj n LYS 101 Ca 0.00 -3.15 -0.17 0.00 -2.02 0.00 0.00 58.31 52.97 1jbj n LYS 101 Cb 0.00 -1.46 -0.08 0.00 -0.02 0.00 0.00 35.03 33.47 1jbj n LYS 101 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1jbj h LYS 102 N 4.88 -0.88 -0.29 1.97 1.57 -1.87 -3.29 116.57 118.66 1jbj h LYS 102 Ca 0.17 0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.85 1jbj h LYS 102 Cb 0.90 0.20 -0.10 0.00 0.08 0.00 0.00 32.23 33.31 1jbj h LYS 102 CO 0.40 -0.55 -0.22 -3.47 -0.57 0.00 0.00 179.45 175.04 1jbj n ASP 103 N -5.43 2.49 -3.14 0.86 2.03 -1.26 -4.93 116.55 107.17 1jbj n ASP 103 Ca -0.13 -3.83 -0.23 0.00 0.52 0.00 0.00 54.79 51.12 1jbj n ASP 103 Cb 0.38 -0.60 0.04 0.00 -0.72 0.00 0.00 41.12 40.22 1jbj n ASP 103 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jbj n GLY 104 N -1.10 -0.53 3.58 0.27 0.00 -1.24 -4.99 105.19 101.18 1jbj n GLY 104 Ca 0.31 0.15 -0.26 0.00 0.00 0.00 0.00 46.02 46.22 1jbj n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jbj s SER 105 N -2.81 4.30 -0.26 1.61 0.01 -1.26 -5.09 113.70 110.19 1jbj s SER 105 Ca 0.36 -0.61 -0.29 0.00 1.31 0.00 0.00 55.95 56.72 1jbj s SER 105 Cb -0.16 -0.73 -0.00 0.00 0.21 0.00 0.00 66.02 65.33 1jbj s SER 105 CO 0.44 0.08 1.30 -1.10 0.41 0.00 0.00 173.24 174.37 1jbj s GLN 106 N -3.04 3.99 -1.47 12.44 -1.52 -1.26 -3.69 119.66 125.12 1jbj s GLN 106 Ca 0.27 1.37 -0.00 0.00 -1.95 0.00 0.00 55.36 55.04 1jbj s GLN 106 Cb -0.08 -3.85 0.00 0.00 -0.22 0.00 0.00 33.01 28.86 1jbj s GLN 106 CO 0.16 -1.02 0.24 -2.37 -0.25 0.00 0.00 175.29 172.05 1jbj n THR 107 N 6.00 -2.16 -4.00 -0.19 5.66 -1.26 -4.93 114.28 113.39 1jbj n THR 107 Ca 0.15 -0.50 -0.36 0.00 -3.05 0.00 0.00 64.05 60.29 1jbj n THR 107 Cb 0.46 -1.93 -0.08 0.00 -1.55 0.00 0.00 70.33 67.23 1jbj n THR 107 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1jbj s ASN 108 N -4.38 5.96 -0.20 1.09 2.47 -1.24 -5.00 114.94 113.64 1jbj s ASN 108 Ca 0.00 0.30 0.15 0.00 0.42 0.00 0.00 52.86 53.73 1jbj s ASN 108 Cb -0.00 -1.91 0.48 0.00 -1.45 0.00 0.00 41.25 38.37 1jbj s ASN 108 CO 0.94 0.34 1.39 1.17 -3.72 0.00 0.00 177.10 177.21 1jbj n LYS 109 N 2.46 2.34 -3.03 0.43 4.81 -1.26 -4.65 118.16 119.26 1jbj n LYS 109 Ca -0.19 -2.90 -0.00 0.00 -0.87 0.00 0.00 58.31 54.35 1jbj n LYS 109 Cb 0.54 -1.78 -0.00 0.00 0.02 0.00 0.00 35.03 33.81 1jbj n LYS 109 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jbj n ALA 110 N -0.84 -2.33 -3.06 3.14 0.00 -1.26 -5.03 120.51 111.14 1jbj n ALA 110 Ca 0.24 0.27 -0.12 0.00 0.00 0.00 0.00 53.44 53.83 1jbj n ALA 110 Cb 0.89 -0.88 -0.12 0.00 0.00 0.00 0.00 19.45 19.34 1jbj n ALA 110 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1jbj s LYS 111 N -1.00 0.27 -0.14 0.00 -2.85 -1.26 -5.11 119.74 109.66 1jbj s LYS 111 Ca -0.02 0.04 -0.29 0.00 -1.00 0.00 0.00 55.97 54.70 1jbj s LYS 111 Cb 0.00 0.12 -0.06 0.00 -2.06 0.00 0.00 37.83 35.84 1jbj s LYS 111 CO 0.24 -0.05 2.00 0.54 0.10 0.00 0.00 175.35 178.18 1jbj s ASN 112 N -0.34 5.99 0.08 0.03 4.22 -1.26 -4.86 114.94 118.80 1jbj s ASN 112 Ca -0.04 2.08 -0.12 0.00 -2.14 0.00 0.00 52.86 52.63 1jbj s ASN 112 Cb -0.03 -2.52 -0.21 0.00 1.28 0.00 0.00 41.25 39.76 1jbj s ASN 112 CO 0.01 -1.51 1.20 -0.07 -2.04 0.00 0.00 177.10 174.69 1jbj h LEU 113 N 12.86 0.85 -8.08 3.54 3.38 -1.99 -3.45 115.31 122.42 1jbj h LEU 113 Ca -0.42 -0.69 -0.45 0.00 0.09 0.00 0.00 57.88 56.41 1jbj h LEU 113 Cb 1.22 -0.26 -0.30 0.00 0.09 0.00 0.00 40.66 41.41 1jbj h LEU 113 CO 0.96 1.49 -0.80 0.54 0.09 0.00 0.00 178.44 180.73 1jbj s VAL 114 N -3.28 0.91 0.04 1.22 0.11 -1.26 -4.02 120.40 114.12 1jbj s VAL 114 Ca -0.09 -0.46 -0.01 0.00 -2.93 0.00 0.00 61.98 58.48 1jbj s VAL 114 Cb 0.07 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 34.11 1jbj s VAL 114 CO 0.91 0.27 -0.01 0.00 -3.33 0.00 0.00 175.10 172.94 1jbj s GLN 115 N -0.07 0.52 0.03 1.54 0.00 -0.96 -5.04 119.66 115.68 1jbj s GLN 115 Ca 0.01 -0.98 0.05 0.00 -0.00 0.00 0.00 55.36 54.43 1jbj s GLN 115 Cb -0.07 0.19 -0.02 0.00 0.00 0.00 0.00 33.01 33.11 1jbj s GLN 115 CO 0.00 -0.10 -0.14 0.54 0.00 0.00 0.00 175.29 175.59 1jbj s VAL 116 N -3.05 1.14 0.25 3.63 0.11 -1.26 0.86 120.40 122.08 1jbj s VAL 116 Ca -0.01 -0.95 0.01 0.00 -2.93 0.00 0.00 61.98 58.10 1jbj s VAL 116 Cb 0.02 -1.02 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1jbj s VAL 116 CO -0.07 0.06 0.43 -1.81 -3.33 0.00 0.00 175.10 170.38 1jbj s ASP 117 N -1.01 6.34 0.00 3.54 1.11 0.30 -4.90 116.67 122.05 1jbj s ASP 117 Ca 0.02 0.33 0.00 0.00 0.18 0.00 0.00 52.55 53.09 1jbj s ASP 117 Cb -0.07 -1.98 0.00 0.00 1.07 0.00 0.00 42.92 41.94 1jbj s ASP 117 CO 0.01 -0.12 0.00 0.61 1.18 0.00 0.00 175.17 176.85 1jbj n GLY 118 N -1.17 -0.02 3.26 0.21 0.00 -1.25 -1.92 105.19 104.30 1jbj n GLY 118 Ca -0.06 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 1jbj n GLY 118 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jbj s SER 119 N -3.26 6.68 -0.14 1.61 1.04 -1.26 -3.35 113.70 115.02 1jbj s SER 119 Ca 0.00 -3.32 0.17 0.00 0.48 0.00 0.00 55.95 53.28 1jbj s SER 119 Cb 0.00 -2.11 0.72 0.00 0.10 0.00 0.00 66.02 64.73 1jbj s SER 119 CO 0.00 -0.34 1.64 0.54 0.98 0.00 0.00 173.24 176.05 1jbj n ARG 120 N 3.02 3.94 0.00 4.02 1.74 -1.26 -4.93 116.66 123.19 1jbj n ARG 120 Ca 0.19 -2.93 0.00 0.00 -0.77 0.00 0.00 57.85 54.34 1jbj n ARG 120 Cb 0.41 -1.96 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 1jbj n ARG 120 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jbj n GLY 121 N 0.90 3.07 0.07 -0.13 0.00 -1.26 -4.71 105.19 103.12 1jbj n GLY 121 Ca 0.26 -0.88 0.03 0.00 0.00 0.00 0.00 46.02 45.43 1jbj n GLY 121 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jbj n ASP 122 N 1.12 0.36 0.00 1.61 8.00 -1.26 -4.99 116.55 121.40 1jbj n ASP 122 Ca 0.00 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1jbj n ASP 122 Cb 0.00 1.04 0.00 0.00 -0.02 0.00 0.00 41.12 42.14 1jbj n ASP 122 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jbj n GLY 123 N 1.39 1.86 3.87 0.44 0.00 -1.26 -5.06 105.19 106.43 1jbj n GLY 123 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1jbj n GLY 123 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jbj s SER 124 N -2.00 6.65 -0.23 1.61 1.04 -1.21 -2.61 113.70 116.95 1jbj s SER 124 Ca 0.00 0.83 -0.08 0.00 0.48 0.00 0.00 55.95 57.18 1jbj s SER 124 Cb 0.00 -2.19 -0.04 0.00 0.10 0.00 0.00 66.02 63.89 1jbj s SER 124 CO 0.00 0.10 0.10 -0.69 0.98 0.00 0.00 173.24 173.73 1jbj s VAL 125 N -1.51 4.80 -0.28 5.02 1.01 0.25 -3.80 120.40 125.89 1jbj s VAL 125 Ca 0.37 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.36 1jbj s VAL 125 Cb -0.13 -3.22 0.07 0.00 0.00 0.00 0.00 36.38 33.10 1jbj s VAL 125 CO 0.20 0.37 -0.04 -0.76 0.00 0.00 0.00 175.10 174.86 1jbj s LEU 126 N 1.07 3.58 -0.31 3.92 1.02 -0.81 -2.27 118.68 124.88 1jbj s LEU 126 Ca 0.05 -1.58 -0.27 0.00 0.02 0.00 0.00 54.13 52.36 1jbj s LEU 126 Cb -0.14 -1.47 0.01 0.00 0.02 0.00 0.00 46.19 44.62 1jbj s LEU 126 CO 0.04 -0.26 0.97 -0.22 0.02 0.00 0.00 176.35 176.90 1jbj s LEU 127 N 1.13 4.00 -0.14 1.79 0.20 -0.33 0.11 118.68 125.44 1jbj s LEU 127 Ca -0.02 0.93 -0.06 0.00 0.69 0.00 0.00 54.13 55.67 1jbj s LEU 127 Cb -0.19 -3.38 -0.04 0.00 -0.43 0.00 0.00 46.19 42.15 1jbj s LEU 127 CO -0.07 -0.77 0.09 0.42 -0.29 0.00 0.00 176.35 175.73 1jbj s THR 128 N 3.37 5.10 -0.32 3.68 -4.23 0.25 0.18 115.64 123.67 1jbj s THR 128 Ca 0.41 0.06 0.18 0.00 -1.18 0.00 0.00 61.69 61.15 1jbj s THR 128 Cb -0.13 -3.24 0.47 0.00 1.34 0.00 0.00 72.50 70.93 1jbj s THR 128 CO 0.14 0.56 1.00 0.00 -0.54 0.00 0.00 174.62 175.77 1jbj n GLY 130 N -0.20 4.85 2.96 0.00 0.00 -1.26 -4.86 105.19 106.68 1jbj n GLY 130 Ca 0.12 -1.95 -0.01 0.00 0.00 0.00 0.00 46.02 44.18 1jbj n GLY 130 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1jbj n LEU 131 N 1.62 0.02 -1.53 0.99 -0.00 -1.26 -3.87 117.00 112.97 1jbj n LEU 131 Ca 0.59 -0.96 -0.19 0.00 -0.00 0.00 0.00 56.01 55.45 1jbj n LEU 131 Cb 0.35 -0.45 -0.08 0.00 -0.00 0.00 0.00 43.42 43.24 1jbj n LEU 131 CO 0.58 -1.19 -0.18 0.35 -0.00 0.00 0.00 177.39 176.95 1jbj n THR 132 N 4.78 0.00 -4.02 1.47 -2.24 -1.26 -4.92 114.28 108.09 1jbj n THR 132 Ca 0.01 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.47 1jbj n THR 132 Cb 0.01 -1.84 -0.06 0.00 -2.10 0.00 0.00 70.33 66.34 1jbj n THR 132 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1jbj s ASP 133 N -2.64 5.90 0.00 3.42 1.01 -1.25 -4.98 116.67 118.13 1jbj s ASP 133 Ca 0.00 0.18 0.25 0.00 0.71 0.00 0.00 52.55 53.69 1jbj s ASP 133 Cb 0.00 -1.73 1.05 0.00 1.01 0.00 0.00 42.92 43.25 1jbj s ASP 133 CO 0.00 0.24 1.73 2.29 0.21 0.00 0.00 175.17 179.63 1jbj n LYS 134 N 0.88 1.55 -4.31 8.23 2.85 -1.26 -4.79 118.16 121.30 1jbj n LYS 134 Ca -0.11 -0.81 -0.19 0.00 -1.05 0.00 0.00 58.31 56.15 1jbj n LYS 134 Cb 0.52 -1.43 -0.15 0.00 -0.65 0.00 0.00 35.03 33.32 1jbj n LYS 134 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1jbj s THR 135 N -1.92 0.67 -0.21 0.58 2.01 -1.26 -4.98 115.64 110.52 1jbj s THR 135 Ca 0.36 -0.30 -0.01 0.00 0.31 0.00 0.00 61.69 62.05 1jbj s THR 135 Cb 0.19 -0.60 0.06 0.00 0.01 0.00 0.00 72.50 72.16 1jbj s THR 135 CO 0.30 0.21 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.79 1jbj s ILE 136 N 0.18 1.17 -0.26 1.82 -1.09 -1.26 -3.74 121.20 118.01 1jbj s ILE 136 Ca -0.02 -0.94 0.01 0.00 -2.23 0.00 0.00 60.65 57.46 1jbj s ILE 136 Cb -0.07 -1.50 0.07 0.00 -1.58 0.00 0.00 42.46 39.38 1jbj s ILE 136 CO 0.00 -0.10 -0.02 -0.75 -1.23 0.00 0.00 174.94 172.83 1jbj s LYS 137 N 1.57 1.54 0.19 2.79 2.20 -0.75 -4.95 119.74 122.33 1jbj s LYS 137 Ca -0.04 -1.17 -0.09 0.00 -0.36 0.00 0.00 55.97 54.32 1jbj s LYS 137 Cb -0.18 -2.64 -0.07 0.00 -1.51 0.00 0.00 37.83 33.43 1jbj s LYS 137 CO -0.07 -0.69 0.49 -0.46 -0.36 0.00 0.00 175.35 174.26 1jbj s TRP 138 N 1.32 3.46 0.23 4.03 -0.11 -1.26 0.14 118.94 126.75 1jbj s TRP 138 Ca -0.02 0.80 0.05 0.00 1.22 0.00 0.00 56.10 58.15 1jbj s TRP 138 Cb -0.19 -2.19 -0.05 0.00 -1.50 0.00 0.00 33.47 29.54 1jbj s TRP 138 CO -0.09 0.34 -0.05 -0.51 -4.62 0.00 0.00 176.95 172.03 1jbj s LEU 139 N -2.64 2.36 -0.11 5.86 1.02 0.26 -2.32 118.68 123.11 1jbj s LEU 139 Ca 0.44 -1.16 -0.03 0.00 0.02 0.00 0.00 54.13 53.40 1jbj s LEU 139 Cb -0.12 -0.42 0.04 0.00 0.02 0.00 0.00 46.19 45.71 1jbj s LEU 139 CO 0.22 -0.40 0.06 -0.75 0.02 0.00 0.00 176.35 175.49 1jbj s LYS 140 N -3.79 0.17 -1.13 1.70 2.20 0.33 -2.20 119.74 117.04 1jbj s LYS 140 Ca 0.26 0.08 0.00 0.00 -0.36 0.00 0.00 55.97 55.95 1jbj s LYS 140 Cb 0.04 -1.25 0.00 0.00 -1.51 0.00 0.00 37.83 35.11 1jbj s LYS 140 CO 0.08 -0.48 0.00 -0.25 -0.36 0.00 0.00 175.35 174.34 1jbj n ASP 141 N 5.24 -4.10 0.00 1.43 8.00 -1.26 0.01 116.55 125.87 1jbj n ASP 141 Ca -0.06 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1jbj n ASP 141 Cb 0.49 -3.48 0.00 0.00 -0.02 0.00 0.00 41.12 38.12 1jbj n ASP 141 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jbj n GLY 142 N -0.82 0.68 3.05 0.44 0.00 -1.26 -5.07 105.19 102.21 1jbj n GLY 142 Ca -0.16 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 1jbj n GLY 142 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jbj s SER 143 N -2.44 1.97 0.15 1.61 0.15 0.10 -5.11 113.70 110.13 1jbj s SER 143 Ca 0.00 -0.34 -0.31 0.00 0.70 0.00 0.00 55.95 56.00 1jbj s SER 143 Cb 0.00 -0.91 -0.10 0.00 -1.71 0.00 0.00 66.02 63.30 1jbj s SER 143 CO 0.00 0.05 1.69 -0.63 1.20 0.00 0.00 173.24 175.55 1jbj s ILE 144 N 0.61 2.54 -0.23 6.45 1.09 -1.26 0.12 121.20 130.52 1jbj s ILE 144 Ca -0.15 0.26 -0.04 0.00 -1.10 0.00 0.00 60.65 59.61 1jbj s ILE 144 Cb -0.16 -3.16 0.08 0.00 -1.06 0.00 0.00 42.46 38.15 1jbj s ILE 144 CO 0.05 0.01 0.10 -0.51 -0.10 0.00 0.00 174.94 174.49 1jbj s ILE 145 N 1.83 0.05 0.13 2.92 2.07 -0.98 -4.86 121.20 122.36 1jbj s ILE 145 Ca 0.75 -0.52 0.10 0.00 -1.41 0.00 0.00 60.65 59.56 1jbj s ILE 145 Cb -0.45 -0.85 -0.04 0.00 0.13 0.00 0.00 42.46 41.25 1jbj s ILE 145 CO 0.33 -0.47 -0.23 -0.44 -1.91 0.00 0.00 174.94 172.21 1jbj s SER 146 N 2.06 2.93 0.39 4.50 0.01 -1.26 -4.42 113.70 117.90 1jbj s SER 146 Ca 0.05 -0.75 -0.08 0.00 1.31 0.00 0.00 55.95 56.48 1jbj s SER 146 Cb -0.16 -0.18 -0.06 0.00 0.21 0.00 0.00 66.02 65.83 1jbj s SER 146 CO -0.21 0.10 0.72 -2.16 0.41 0.00 0.00 173.24 172.10 1jbj s PRO 147 N -2.13 3.71 -0.21 12.44 0.04 -1.26 -5.01 135.00 142.58 1jbj s PRO 147 Ca 0.12 0.32 0.13 0.00 0.04 0.00 0.00 61.00 61.61 1jbj s PRO 147 Cb -0.09 -2.45 0.42 0.00 0.04 0.00 0.00 34.50 32.42 1jbj s PRO 147 CO 0.06 0.00 1.29 -0.11 0.04 0.00 0.00 177.00 178.28 1jbj n LEU 148 N -1.33 3.11 -0.78 -3.56 -0.00 -1.26 -4.55 117.00 108.64 1jbj n LEU 148 Ca 0.01 -3.61 -0.04 0.00 -0.00 0.00 0.00 56.01 52.37 1jbj n LEU 148 Cb 0.54 -0.54 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 1jbj n LEU 148 CO 0.48 1.14 0.29 0.59 -0.00 0.00 0.00 177.39 179.90 1jbj n ASN 149 N -1.14 -0.58 -3.57 1.96 3.02 -1.26 -5.13 115.26 108.57 1jbj n ASN 149 Ca 0.22 -1.51 -0.13 0.00 -0.03 0.00 0.00 54.58 53.13 1jbj n ASN 149 Cb 0.79 0.17 -0.06 0.00 -0.61 0.00 0.00 39.78 40.08 1jbj n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jbj s ALA 150 N 0.00 -1.88 -0.12 5.41 0.00 -1.26 -5.07 121.76 118.84 1jbj s ALA 150 Ca 0.00 1.55 0.03 0.00 0.00 0.00 0.00 51.96 53.54 1jbj s ALA 150 Cb 0.00 -0.58 0.10 0.00 0.00 0.00 0.00 23.12 22.65 1jbj s ALA 150 CO 0.00 -0.32 0.81 -2.37 0.00 0.00 0.00 175.76 173.88 1jbj n THR 151 N 1.03 0.00 -1.45 0.00 5.66 -1.26 -4.69 114.28 113.57 1jbj n THR 151 Ca -0.13 -0.32 -0.32 0.00 -3.05 0.00 0.00 64.05 60.22 1jbj n THR 151 Cb 0.57 0.63 0.04 0.00 -1.55 0.00 0.00 70.33 70.02 1jbj n THR 151 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1jbj n LYS 152 N -0.41 2.52 -1.21 1.09 5.02 -1.26 -4.76 118.16 119.14 1jbj n LYS 152 Ca -0.07 -2.93 -0.07 0.00 -2.02 0.00 0.00 58.31 53.21 1jbj n LYS 152 Cb 0.61 -2.15 -0.03 0.00 -0.02 0.00 0.00 35.03 33.43 1jbj n LYS 152 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1jbj n ASN 153 N -0.34 -5.39 -4.79 4.39 5.15 -1.26 -4.95 115.26 108.08 1jbj n ASN 153 Ca 0.53 0.18 -0.30 0.00 -0.60 0.00 0.00 54.58 54.39 1jbj n ASN 153 Cb 0.50 -3.53 -0.06 0.00 -0.53 0.00 0.00 39.78 36.17 1jbj n ASN 153 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1jbj s THR 154 N -1.77 1.50 -0.02 -0.44 -4.23 -1.26 -2.31 115.64 107.11 1jbj s THR 154 Ca 0.00 -1.81 0.02 0.00 -1.18 0.00 0.00 61.69 58.71 1jbj s THR 154 Cb 0.00 -2.31 0.01 0.00 1.34 0.00 0.00 72.50 71.53 1jbj s THR 154 CO 0.00 0.00 -0.06 0.86 -0.54 0.00 0.00 174.62 174.88 1jbj s TRP 155 N -2.80 0.66 -0.65 3.99 -0.00 0.47 -4.78 118.94 115.84 1jbj s TRP 155 Ca 0.20 -0.15 -0.26 0.00 -0.00 0.00 0.00 56.10 55.89 1jbj s TRP 155 Cb 0.01 -0.50 0.04 0.00 -0.00 0.00 0.00 33.47 33.02 1jbj s TRP 155 CO 0.12 -0.08 1.16 1.21 -0.00 0.00 0.00 176.95 179.36 1jbj s ASN 156 N 0.24 6.28 -0.02 5.86 2.47 -1.26 -1.19 114.94 127.32 1jbj s ASN 156 Ca -0.03 -0.33 0.17 0.00 0.42 0.00 0.00 52.86 53.09 1jbj s ASN 156 Cb -0.07 -2.52 -0.20 0.00 -1.45 0.00 0.00 41.25 37.01 1jbj s ASN 156 CO -0.00 -1.58 0.59 0.18 -3.72 0.00 0.00 177.10 172.57 1jbj n LEU 157 N 8.58 0.58 0.00 3.21 4.77 -0.96 -5.02 117.00 128.15 1jbj n LEU 157 Ca 0.04 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1jbj n LEU 157 Cb 0.48 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1jbj n LEU 157 CO 0.69 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1jbj n GLY 158 N 1.48 0.22 3.49 -0.72 0.00 -1.25 -4.16 105.19 104.25 1jbj n GLY 158 Ca -0.15 -1.97 -0.39 0.00 0.00 0.00 0.00 46.02 43.50 1jbj n GLY 158 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jbj s ASN 159 N -4.00 5.80 0.53 1.61 3.84 -1.26 -0.58 114.94 120.88 1jbj s ASN 159 Ca 0.00 -0.45 0.41 0.00 0.21 0.00 0.00 52.86 53.03 1jbj s ASN 159 Cb 0.00 -2.07 1.60 0.00 -0.55 0.00 0.00 41.25 40.23 1jbj s ASN 159 CO 0.00 -0.20 1.67 -0.55 -2.79 0.00 0.00 177.10 175.23 1jbj h ASN 160 N 8.41 0.06 -0.43 -4.21 7.08 -1.83 1.13 115.58 125.79 1jbj h ASN 160 Ca -0.32 0.03 -0.03 0.00 -3.08 0.00 0.00 56.30 52.90 1jbj h ASN 160 Cb 1.15 0.02 -0.02 0.00 -2.08 0.00 0.00 38.32 37.39 1jbj h ASN 160 CO 0.62 -0.03 0.17 0.00 -2.08 0.00 0.00 177.43 176.12 1jbj h ALA 161 N 1.27 1.40 -0.22 4.14 0.00 -1.81 -3.25 119.26 120.78 1jbj h ALA 161 Ca 0.78 -0.15 -0.26 0.00 0.00 0.00 0.00 54.91 55.28 1jbj h ALA 161 Cb 2.97 -0.20 -0.17 0.00 0.00 0.00 0.00 17.79 20.39 1jbj h ALA 161 CO -0.09 0.45 -0.55 1.17 0.00 0.00 0.00 179.25 180.24 1jbj n LYS 162 N -4.34 0.86 -5.21 0.00 0.00 0.35 -4.67 118.16 105.15 1jbj n LYS 162 Ca 0.04 -1.97 -0.32 0.00 0.00 0.00 0.00 58.31 56.06 1jbj n LYS 162 Cb 0.17 -1.32 -0.16 0.00 0.00 0.00 0.00 35.03 33.72 1jbj n LYS 162 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1jbj s ASP 163 N -1.55 3.25 0.04 3.14 -4.77 0.89 -4.49 116.67 113.17 1jbj s ASP 163 Ca 0.29 -0.44 -0.33 0.00 -3.30 0.00 0.00 52.55 48.77 1jbj s ASP 163 Cb 0.25 -0.64 -0.12 0.00 -1.09 0.00 0.00 42.92 41.31 1jbj s ASP 163 CO -0.17 0.29 1.77 -2.65 0.70 0.00 0.00 175.17 175.11 1jbj n PRO 164 N 2.64 2.29 -3.86 2.11 -0.02 -1.26 -4.81 135.00 132.09 1jbj n PRO 164 Ca -0.17 0.83 -0.21 0.00 -2.02 0.00 0.00 63.50 61.94 1jbj n PRO 164 Cb 0.52 -2.66 -0.03 0.00 -0.02 0.00 0.00 33.50 31.30 1jbj n PRO 164 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1jbj s ARG 165 N 2.71 2.89 0.00 -0.52 3.03 -1.26 -4.98 118.95 120.82 1jbj s ARG 165 Ca 0.86 -1.15 0.00 0.00 2.03 0.00 0.00 55.73 57.47 1jbj s ARG 165 Cb -0.65 -2.58 0.00 0.00 -1.03 0.00 0.00 34.95 30.69 1jbj s ARG 165 CO 0.44 0.20 0.00 0.41 -1.13 0.00 0.00 175.30 175.22 1jbj n GLY 166 N -1.36 -0.47 3.54 3.88 0.00 -0.99 -5.02 105.19 104.77 1jbj n GLY 166 Ca -0.04 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 1jbj n GLY 166 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jbj s THR 167 N -4.00 3.46 -0.05 2.61 -4.23 -1.26 -1.51 115.64 110.67 1jbj s THR 167 Ca 0.00 -0.57 -0.01 0.00 -1.18 0.00 0.00 61.69 59.93 1jbj s THR 167 Cb 0.00 -2.40 0.03 0.00 1.34 0.00 0.00 72.50 71.47 1jbj s THR 167 CO 0.00 0.60 0.01 -0.31 -0.54 0.00 0.00 174.62 174.37 1jbj s TYR 168 N -0.77 0.42 -0.00 3.99 1.51 -0.24 -4.20 117.35 118.06 1jbj s TYR 168 Ca 0.12 -0.03 -0.02 0.00 -1.01 0.00 0.00 57.07 56.13 1jbj s TYR 168 Cb -0.11 -0.58 -0.04 0.00 -0.11 0.00 0.00 41.96 41.12 1jbj s TYR 168 CO 0.01 -0.21 0.18 -0.65 -1.11 0.00 0.00 175.55 173.77 1jbj s GLN 169 N 1.56 3.44 0.02 -0.62 -0.21 -0.93 0.75 119.66 123.66 1jbj s GLN 169 Ca -0.02 -0.33 0.09 0.00 0.02 0.00 0.00 55.36 55.11 1jbj s GLN 169 Cb -0.13 -3.09 -0.03 0.00 1.00 0.00 0.00 33.01 30.77 1jbj s GLN 169 CO -0.03 0.67 -0.25 0.00 -2.12 0.00 0.00 175.29 173.56 1jbj s GLN 171 N -1.04 1.81 0.23 0.00 -1.52 0.38 -0.95 119.66 118.56 1jbj s GLN 171 Ca 0.11 -1.21 -0.01 0.00 -1.95 0.00 0.00 55.36 52.30 1jbj s GLN 171 Cb -0.10 -2.74 -0.04 0.00 -0.22 0.00 0.00 33.01 29.91 1jbj s GLN 171 CO 0.01 -0.63 0.43 0.20 -0.25 0.00 0.00 175.29 175.05 1jbj s GLY 172 N 1.25 1.77 0.11 3.09 0.00 0.61 -1.81 107.32 112.32 1jbj s GLY 172 Ca -0.05 -0.79 -0.20 0.00 0.00 0.00 0.00 44.72 43.68 1jbj s GLY 172 CO -0.07 -0.73 1.20 0.00 0.00 0.00 0.00 173.10 173.50 1jbj n ALA 173 N -0.80 -0.42 -0.16 3.20 0.00 -1.25 -2.01 120.51 119.07 1jbj n ALA 173 Ca -0.04 0.56 0.03 0.00 0.00 0.00 0.00 53.44 53.99 1jbj n ALA 173 Cb 0.54 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.07 1jbj n ALA 173 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jbj n LYS 174 N -4.56 2.87 -4.15 0.00 3.00 -1.26 -5.02 118.16 109.03 1jbj n LYS 174 Ca 0.01 -1.84 -0.10 0.00 -0.00 0.00 0.00 58.31 56.39 1jbj n LYS 174 Cb 0.17 -1.17 -0.10 0.00 0.00 0.00 0.00 35.03 33.93 1jbj n LYS 174 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1jbj s GLU 175 N -1.15 0.92 -0.17 1.64 2.02 -0.85 -5.15 118.70 115.96 1jbj s GLU 175 Ca 0.13 -1.43 -0.04 0.00 0.02 0.00 0.00 54.97 53.65 1jbj s GLU 175 Cb 0.08 0.19 0.08 0.00 0.10 0.00 0.00 34.13 34.57 1jbj s GLU 175 CO 0.07 -0.24 0.18 0.99 0.02 0.00 0.00 175.26 176.29 1jbj s THR 176 N -4.00 -0.26 0.54 3.63 2.01 -1.26 0.22 115.64 116.52 1jbj s THR 176 Ca 0.23 -0.03 -0.18 0.00 0.31 0.00 0.00 61.69 62.02 1jbj s THR 176 Cb 0.07 -0.57 -0.06 0.00 0.01 0.00 0.00 72.50 71.95 1jbj s THR 176 CO 0.01 -0.15 1.06 -0.44 -0.69 0.00 0.00 174.62 174.41 1jbj s SER 177 N 2.28 6.04 0.48 3.53 0.01 -0.13 -4.94 113.70 120.97 1jbj s SER 177 Ca 0.05 1.91 -0.13 0.00 1.31 0.00 0.00 55.95 59.08 1jbj s SER 177 Cb -0.15 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.46 1jbj s SER 177 CO -0.10 -0.99 0.90 0.20 0.41 0.00 0.00 173.24 173.65 1jbj s ASN 178 N -2.30 6.54 -0.30 2.44 0.02 -1.26 -3.09 114.94 116.98 1jbj s ASN 178 Ca 0.66 1.36 -0.32 0.00 -1.02 0.00 0.00 52.86 53.55 1jbj s ASN 178 Cb -0.17 -2.42 -0.09 0.00 0.02 0.00 0.00 41.25 38.59 1jbj s ASN 178 CO 0.28 -0.53 2.22 -0.81 0.02 0.00 0.00 177.10 178.27 1jbj n PRO 179 N -1.58 1.44 -2.71 -0.60 -0.04 -1.25 -4.53 135.00 125.72 1jbj n PRO 179 Ca 0.05 0.38 -0.42 0.00 -0.04 0.00 0.00 63.50 63.47 1jbj n PRO 179 Cb 0.54 -2.82 -0.04 0.00 -0.04 0.00 0.00 33.50 31.15 1jbj n PRO 179 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1jbj s LEU 180 N 7.96 4.42 -0.83 1.53 2.96 0.23 -4.64 118.68 130.30 1jbj s LEU 180 Ca 1.06 1.72 -0.16 0.00 -0.22 0.00 0.00 54.13 56.52 1jbj s LEU 180 Cb -0.61 -3.58 0.17 0.00 0.50 0.00 0.00 46.19 42.67 1jbj s LEU 180 CO 0.42 -0.19 0.89 -1.10 -1.32 0.00 0.00 176.35 175.05 1jbj s GLN 181 N 0.63 3.52 -0.48 1.98 1.11 -1.23 -1.08 119.66 124.11 1jbj s GLN 181 Ca 0.50 -2.06 -0.20 0.00 0.01 0.00 0.00 55.36 53.61 1jbj s GLN 181 Cb -0.22 -4.59 0.04 0.00 -1.01 0.00 0.00 33.01 27.23 1jbj s GLN 181 CO 0.29 -1.50 0.67 0.08 0.01 0.00 0.00 175.29 174.84 1jbj s VAL 182 N 1.42 4.79 -0.15 1.09 1.01 -0.57 0.11 120.40 128.11 1jbj s VAL 182 Ca 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1jbj s VAL 182 Cb -0.10 -4.29 -0.00 0.00 0.00 0.00 0.00 36.38 31.99 1jbj s VAL 182 CO -0.07 -0.75 -0.15 -0.47 0.00 0.00 0.00 175.10 173.65 1jbj s TYR 183 N 2.87 2.77 0.46 5.22 5.04 -0.72 -2.34 117.35 130.66 1jbj s TYR 183 Ca 0.20 -0.95 0.03 0.00 -2.44 0.00 0.00 57.07 53.91 1jbj s TYR 183 Cb -0.16 -1.87 -0.02 0.00 0.35 0.00 0.00 41.96 40.27 1jbj s TYR 183 CO 0.16 -0.41 0.09 0.71 -1.34 0.00 0.00 175.55 174.76 1jbj s TYR 184 N 0.68 1.80 0.19 4.97 1.51 -1.25 -1.36 117.35 123.89 1jbj s TYR 184 Ca -0.08 -1.19 0.00 0.00 -1.01 0.00 0.00 57.07 54.79 1jbj s TYR 184 Cb -0.16 -1.31 0.00 0.00 -0.11 0.00 0.00 41.96 40.38 1jbj s TYR 184 CO 0.02 -0.13 0.00 -2.13 -1.11 0.00 0.00 175.55 172.20 1jbj n ARG 185 N -1.07 0.00 0.00 -0.62 3.00 -1.20 -4.94 116.66 111.84 1jbj n ARG 185 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.74 1jbj n ARG 185 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.12 1jbj n ARG 185 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30